(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol

C6H15NO4S — CID 87770507

IUPAC(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
SMILESN[C@@H](CS)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO4S/c7-3(2-12)5(10)6(11)4(9)1-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyJZSRAQLUQFFJJX-KCDKBNATSA-N
MW197.26 g/mol
LogP-2.68
Rot. Bonds5

About (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol

(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol (PubChem CID 87770507) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
PubChem CID87770507
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Name(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
SMILESN[C@@H](CS)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO4S/c7-3(2-12)5(10)6(11)4(9)1-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyJZSRAQLUQFFJJX-KCDKBNATSA-N
XLogP-2.68
TPSA106.94 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.26
LogP ≤ 5-2.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol with MolForge

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Related Compounds

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
CID 126485687
(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
CID 46237758
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol (CID 87770507) is (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol is N[C@@H](CS)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol?
The InChIKey is JZSRAQLUQFFJJX-KCDKBNATSA-N. The full InChI is InChI=1S/C6H15NO4S/c7-3(2-12)5(10)6(11)4(9)1-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6-/m0/s1.
What are the key properties of (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol?
(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol has a molecular weight of 197.26 g/mol, XLogP of -2.68, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol is sourced from PubChem (CID 87770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).